[(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 3-methylbenzoate

Systemtic Name: [(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 3-methylbenzoate Openeye Name: [(1R)-1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [(2R)-1-(1-pyrrolidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [(1R)-1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl] ester Formula: C15H22NO2+ MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC(C)C[NH+]2CCCC2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)O[C@H](C)C[NH+]2CCCC2

InChI

InChI=1S/C15H21NO2/c1-12-6-5-7-14(10-12)15(17)18-13(2)11-16-8-3-4-9-16/h5-7,10,13H,3-4,8-9,11H2,1-2H3/p+1/t13-/m1/s1